UCSF

ZINC06782992

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 30 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.76 11.82 -54.11 0 7 -1 106 407.446 9
Mid Mid (pH 6-8) 5.21 1.31 -17.51 1 7 0 103 408.454 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )